1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine

C21H19NO2 — CID 10881658

IUPAC1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
SMILESCCOc1cccc(/C=N/c2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C21H19NO2/c1-2-23-20-12-6-8-17(14-20)16-22-18-9-7-13-21(15-18)24-19-10-4-3-5-11-19/h3-16H,2H2,1H3/b22-16+
InChIKeyIPBWUXMWDKGJBK-CJLVFECKSA-N
MW317.39 g/mol
LogP5.63
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine

1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine (PubChem CID 10881658) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
PubChem CID10881658
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine
SMILESCCOc1cccc(/C=N/c2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C21H19NO2/c1-2-23-20-12-6-8-17(14-20)16-22-18-9-7-13-21(15-18)24-19-10-4-3-5-11-19/h3-16H,2H2,1H3/b22-16+
InChIKeyIPBWUXMWDKGJBK-CJLVFECKSA-N
XLogP5.63
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126205554
1-(3-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126205496
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
1-(3-ethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126216277
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
N-(3-phenoxyphenyl)-1-thiophen-3-ylmethanimine
CID 23765720
N-[(3-ethoxyphenyl)methylideneamino]aniline
CID 169381619
N-(3H-benzimidazol-5-yl)-1-(3-phenoxyphenyl)methanimine
CID 24898173
[3-[(4-ethoxyphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126207081
1-(3,5-dibromo-4-ethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 126219590
N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839888
1-(4-ethoxyphenyl)-N-[4-[4-[(4-ethoxyphenyl)methylideneamino]phenoxy]phenyl]methanimine
CID 3287327

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine (CID 10881658) is 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine is CCOc1cccc(/C=N/c2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine?
The InChIKey is IPBWUXMWDKGJBK-CJLVFECKSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-23-20-12-6-8-17(14-20)16-22-18-9-7-13-21(15-18)24-19-10-4-3-5-11-19/h3-16H,2H2,1H3/b22-16+.
What are the key properties of 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine?
1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine has a molecular weight of 317.39 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-(3-phenoxyphenyl)methanimine is sourced from PubChem (CID 10881658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).